1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C17H15ClN4O — CID 40636824

IUPAC1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyVPAHKMUBUZAORL-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 40636824) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID40636824
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyVPAHKMUBUZAORL-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 40636824) is 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccnc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is VPAHKMUBUZAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 40636824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).